LAMMPS (15 Sep 2022)
  using 1 OpenMP thread(s) per MPI task
# Vesicle demo

variable     T  equal  0.2
variable     LD equal  1.0

units        lj
atom_style   ellipsoid

boundary     p p p

read_data    read_data.vesicle1026
Reading data file ...
  orthogonal box = (-35 -35 -35) to (35 35 35)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  2938 atoms
  2938 ellipsoids
  read_data CPU = 0.010 seconds

compute      ali  all temp/com
compute      rott all temp/asphere bias ali

velocity     all create ${T} 87287 loop geom
velocity     all create 0.2 87287 loop geom

pair_style   ylz  2.6
pair_coeff   *  *   1.0  1.0  4  3  0.0  2.6
neighbor     1.0 bin

thermo_style custom step temp press pxx pyy
thermo       200

timestep     0.001

#dump         1 all atom 10 onlymembrane2.lammpstrj

fix          1 all langevin ${T} ${T}  ${LD}  48279
fix          1 all langevin 0.2 ${T}  ${LD}  48279
fix          1 all langevin 0.2 0.2  ${LD}  48279
fix          1 all langevin 0.2 0.2  1  48279
fix          2 all nve/asphere

run          3000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- pair ylz command:

@Article{Yuan10,
 author =  {H. Yuan, C. Huang, J. Li, G. Lykotrafitis, and S. Zhang},
 title =   {One-particle-thick, solvent-free, coarse-grained model for biological and biomimetic fluid membranes},
 journal = {Phys. Rev. E},
 year =    2010,
 volume =  82,
 pages =   {011905}
}

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 10 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 3.6
  ghost atom cutoff = 3.6
  binsize = 1.8, bins = 39 39 39
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair ylz, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.091 | 5.091 | 5.091 Mbytes
   Step          Temp          Press           Pxx            Pyy      
         0   0.2           -0.0054891414  -0.0052713616  -0.0053641136 
       200   0.12816247    -0.0051288861  -0.0048542514  -0.0049847561 
       400   0.1377632     -0.0048071582  -0.0045651263  -0.0048444087 
       600   0.14983781    -0.0045305725  -0.0043305994  -0.0046127777 
       800   0.16205271    -0.0041176346  -0.0040534483  -0.0041351779 
      1000   0.17462122    -0.0037000069  -0.0034938539  -0.0037915494 
      1200   0.18335448    -0.0032674318  -0.0032790248  -0.0031967931 
      1400   0.19195613    -0.0029332101  -0.0030823703  -0.0028287799 
      1600   0.19261762    -0.0025263447  -0.0025152249  -0.0026205398 
      1800   0.19758674    -0.0021087725  -0.001981333   -0.002309048  
      2000   0.19748896    -0.0017662369  -0.0019316344  -0.0016696035 
      2200   0.20196986    -0.0013363214  -0.0015581191  -0.0013384961 
      2400   0.20109248    -0.0009190831  -0.0010331417  -0.0010664316 
      2600   0.20228664    -0.00053590675 -0.00071808747 -0.00050218533
      2800   0.20512955    -0.00030845899 -0.00016244901 -0.00047877516
      3000   0.19855941    -7.9520073e-05 -0.00014969215 -5.4724226e-06
Loop time of 9.6866 on 1 procs for 3000 steps with 2938 atoms

Performance: 26758.610 tau/day, 309.706 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3097     | 8.3097     | 8.3097     |   0.0 | 85.79
Neigh   | 0.039037   | 0.039037   | 0.039037   |   0.0 |  0.40
Comm    | 0.0021766  | 0.0021766  | 0.0021766  |   0.0 |  0.02
Output  | 0.00048628 | 0.00048628 | 0.00048628 |   0.0 |  0.01
Modify  | 1.3043     | 1.3043     | 1.3043     |   0.0 | 13.47
Other   |            | 0.0309     |            |       |  0.32

Nlocal:           2938 ave        2938 max        2938 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          73242 ave       73242 max       73242 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 73242
Ave neighs/atom = 24.929204
Neighbor list builds = 26
Dangerous builds = 0

Total wall time: 0:00:09
